(3R)-3-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3R)-3-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: (3R)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: (3R)-3-[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: (3R)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: (3R)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)C(=O)C(CC3=CNC4=CC=CC=C43)N)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)C(=O)[C@H](CC3=CNC4=CC=CC=C43)N)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2/c1-31-23-14-8-6-12-20(23)24(17-9-3-2-4-10-17)30-25(27(31)33)26(32)21(28)15-18-16-29-22-13-7-5-11-19(18)22/h2-14,16,21,25,29H,15,28H2,1H3/t21-,25+/m0/s1